3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione

C14H25N3O2 — CID 64967600

IUPAC3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(CC2CCN(CC)CC2)C1=O
InChIInChI=1S/C14H25N3O2/c1-3-12-14(19)17(10-13(18)15-12)9-11-5-7-16(4-2)8-6-11/h11-12H,3-10H2,1-2H3,(H,15,18)
InChIKeyVOZNUNSDZYGHLS-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.46
Rot. Bonds4

About 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione

3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione (PubChem CID 64967600) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione
PubChem CID64967600
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)CN(CC2CCN(CC)CC2)C1=O
InChIInChI=1S/C14H25N3O2/c1-3-12-14(19)17(10-13(18)15-12)9-11-5-7-16(4-2)8-6-11/h11-12H,3-10H2,1-2H3,(H,15,18)
InChIKeyVOZNUNSDZYGHLS-UHFFFAOYSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione
CID 64966881
3-ethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 64963488
3-ethyl-1-[(4-ethylcyclohexyl)methyl]-1,4-diazepane-2,5-dione
CID 64968269
3-ethyl-1-[(2-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64967153
3-ethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619345
1-[(1-ethylpiperidin-4-yl)methyl]-1,3-diazinan-2-one
CID 115371072
3-ethyl-1-methylpiperazine-2,5-dione
CID 64880969
3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83250904
3-ethyl-1-pent-3-ynylpiperazine-2,5-dione
CID 116645631
5-butan-2-yl-3-[(1-ethylpiperidin-4-yl)methyl]imidazolidin-4-one
CID 83248870
3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione
CID 64963616
1-[(1-ethylpiperidin-4-yl)methyl]-3-(methylamino)azepan-2-one
CID 20798919

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione (CID 64967600) is 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione is CCC1NC(=O)CN(CC2CCN(CC)CC2)C1=O.
What is the InChIKey of 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione?
The InChIKey is VOZNUNSDZYGHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-12-14(19)17(10-13(18)15-12)9-11-5-7-16(4-2)8-6-11/h11-12H,3-10H2,1-2H3,(H,15,18).
What are the key properties of 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione?
3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione has a molecular weight of 267.37 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64967600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).